# generated using pymatgen data_Zr3BeGa2Ru3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.97021755 _cell_length_b 6.97021764 _cell_length_c 3.36405751 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000426 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3BeGa2Ru3 _chemical_formula_sum 'Zr3 Be1 Ga2 Ru3' _cell_volume 141.54244622 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zr Zr0 1 0.38131415 0.38131415 0.50000000 1.0 Zr Zr1 1 0.61868585 0.00000000 0.50000000 1.0 Zr Zr2 1 0.00000000 0.61868585 0.50000000 1.0 Be Be3 1 0.00000000 0.00000000 0.50000000 1.0 Ga Ga4 1 0.66666700 0.33333300 0.00000000 1.0 Ga Ga5 1 0.33333300 0.66666700 0.00000000 1.0 Ru Ru6 1 1.00000000 0.24349242 0.00000000 1.0 Ru Ru7 1 0.24349242 1.00000000 0.00000000 1.0 Ru Ru8 1 0.75650758 0.75650758 0.00000000 1.0